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MoSGrid - Molecular Simulations in a Distributed Environment

Molecular simulations are indispensable methods in areas like material science, structural biology, and drug design. These methods address data-intensive and compute-intensive problems, which demand high-performance computing to allow data analysis in an acceptable time. The project MoSGrid (Molecular Simulation Grid) offers a workflow-enabled grid portal allowing access to molecular simulation tools on distributed resources in an intuitive manner. Users are able to exchange workflows and data via repositories and, thus, to exchange knowledge about the specific application domain. The talk will give an overview on the current MoSGrid portal, the underlying infrastructure, and an outlook on the next steps.